T83

7-hydroxy-6-methoxy-2H-1-benzopyran-2-one

Created:	2022-07-20
Last modified:	2023-01-11

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4 entries where T83 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	6

2D diagram of T83

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Chemical Component Summary
Name	7-hydroxy-6-methoxy-2H-1-benzopyran-2-one
Systematic Name (OpenEye OEToolkits)	6-methoxy-7-oxidanyl-chromen-2-one
Formula	C₁₀ H₈ O₄
Molecular Weight	192.168
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1cc2C=CC(=O)Oc2cc1O
SMILES	CACTVS	3.385	COc1cc2C=CC(=O)Oc2cc1O
SMILES	OpenEye OEToolkits	2.0.7	COc1cc2c(cc1O)OC(=O)C=C2
Canonical SMILES	CACTVS	3.385	COc1cc2C=CC(=O)Oc2cc1O
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1cc2c(cc1O)OC(=O)C=C2
InChI	InChI	1.06	InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
InChIKey	InChI	1.06	RODXRVNMMDRFIK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL71851
PubChem	5280460
ChEMBL	CHEMBL71851
ChEBI	CHEBI:17488
CCDC/CSD	HXMCOU01, HXMCOU02, HXMCOU
COD	2226797

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